N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H17BrF3NO — CID 115583701

IUPACN-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2C(F)(F)F)c(Br)c1
InChIInChI=1S/C15H17BrF3NO/c1-9-6-7-13(12(16)8-9)20-14(21)10-4-2-3-5-11(10)15(17,18)19/h6-8,10-11H,2-5H2,1H3,(H,20,21)
InChIKeyMPRCQUYCEFENBC-UHFFFAOYSA-N
MW364.21 g/mol
LogP5.06
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115583701) has the molecular formula C15H17BrF3NO and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115583701
Molecular FormulaC15H17BrF3NO
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2C(F)(F)F)c(Br)c1
InChIInChI=1S/C15H17BrF3NO/c1-9-6-7-13(12(16)8-9)20-14(21)10-4-2-3-5-11(10)15(17,18)19/h6-8,10-11H,2-5H2,1H3,(H,20,21)
InChIKeyMPRCQUYCEFENBC-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.21
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
N-(5-bromo-2-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115606431
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95259732
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115583701) is N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCCC2C(F)(F)F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MPRCQUYCEFENBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3NO/c1-9-6-7-13(12(16)8-9)20-14(21)10-4-2-3-5-11(10)15(17,18)19/h6-8,10-11H,2-5H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 364.21 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115583701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).